N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide

C16H18F2N2O3S — CID 42463006

IUPACN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F
InChIInChI=1S/C16H18F2N2O3S/c1-3-9-24(21,22)20-10-12-5-4-8-19-16(12)23-13-7-6-11(2)14(17)15(13)18/h4-8,20H,3,9-10H2,1-2H3
InChIKeyWAVSIHKFHITCME-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.29
Rot. Bonds7

About N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide

N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide (PubChem CID 42463006) has the molecular formula C16H18F2N2O3S and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide
PubChem CID42463006
Molecular FormulaC16H18F2N2O3S
Molecular Weight356.39 g/mol
Exact Mass356.10
IUPAC NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F
InChIInChI=1S/C16H18F2N2O3S/c1-3-9-24(21,22)20-10-12-5-4-8-19-16(12)23-13-7-6-11(2)14(17)15(13)18/h4-8,20H,3,9-10H2,1-2H3
InChIKeyWAVSIHKFHITCME-UHFFFAOYSA-N
XLogP3.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide (CID 42463006) is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide?
The InChIKey is WAVSIHKFHITCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3S/c1-3-9-24(21,22)20-10-12-5-4-8-19-16(12)23-13-7-6-11(2)14(17)15(13)18/h4-8,20H,3,9-10H2,1-2H3.
What are the key properties of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide?
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide has a molecular weight of 356.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 42463006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).